Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM204877
Substrate
n/a
Meas. Tech.
Radioligand Binding Assays
Ki
91.5±20 nM
Citation
 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S Fluorescent antagonists of the A3 adenosine receptor US Patent  US9227979 Publication Date 1/5/2016 
Target
Name:
Adenosine receptor A2a
Synonyms:
A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44716.46
Organism:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM204877
Synonyms:
EA11/MRS5820 | US9227979, 26
Type:
Small organic molecule
Emp. Form.:
C51H48N11O11S
Mol. Mass.:
1023.059
SMILES:
Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCOCCOOCCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 |(-13.81,8.24,;-12.32,8.64,;-11.12,7.67,;-9.83,8.51,;-10.23,10,;-11.77,10.08,;-9.14,11.09,;-7.65,10.69,;-6.56,11.78,;-4.83,11.02,;-4.83,9.48,;-3.82,12.08,;-2.28,12.08,;-2.28,13.62,;-.95,14.39,;.39,13.62,;1.49,13.8,;1.87,15.06,;1,16.09,;3.21,15.83,;4.42,14.72,;5.68,15.41,;6.86,14.5,;8.57,15.56,;10.55,14.77,;12.03,15.83,;14.15,14.81,;15.2,15.65,;16.54,14.88,;17.87,15.65,;19.1,14.85,;20.78,15.65,;22.11,14.88,;23.57,15.8,;24.66,14.71,;24.66,13.17,;25.75,15.8,;26.84,14.71,;28.17,15.48,;29.5,14.71,;29.5,13.17,;28.17,12.4,;26.84,13.17,;28.17,10.86,;29.71,10.86,;29.26,11.94,;30.84,12.4,;30.84,10.86,;29.5,10.09,;29.5,8.55,;30.84,7.78,;30.84,6.24,;32.17,8.55,;32.17,10.09,;33.5,10.86,;33.5,12.4,;34.84,13.17,;34.84,14.71,;35.93,15.8,;33.5,15.48,;32.17,14.71,;32.17,13.17,;.39,12.08,;-.95,11.31,;-7.25,9.2,;-5.88,8.5,;-6.12,6.98,;-7.64,6.74,;-8.34,8.11,;-5.03,5.89,;-5.27,4.37,;-3.9,3.67,;-2.81,4.76,;-3.51,6.13,)|
Structure:
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